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Home Other Building Blocks Glafenine hydrochloride

Glafenine hydrochloride

CAS No.:
65513-72-6
Catalog Number:
AG00EVUX
Molecular Formula:
C19H18Cl2N2O4
Molecular Weight:
409.2632
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
97%
In Stock USA
United States
$148
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Product Description
Catalog Number:
AG00EVUX
Chemical Name:
Glafenine hydrochloride
CAS Number:
65513-72-6
Molecular Formula:
C19H18Cl2N2O4
Molecular Weight:
409.2632
MDL Number:
MFCD00079327
IUPAC Name:
2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;hydrochloride
InChI:
InChI=1S/C19H17ClN2O4.ClH/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23;/h1-9,13,23-24H,10-11H2,(H,21,22);1H
InChI Key:
CEUMONXVSJOJIH-UHFFFAOYSA-N
SMILES:
OCC(COC(=O)c1ccccc1Nc1ccnc2c1ccc(c2)Cl)O.Cl
Properties
Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.064g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
409.263g/mol
Monoisotopic Mass:
408.064g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties